X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholino-benzylidene)amino]-2,4-di-hydro-3H-1,2,4-triazole-3-thione.

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作者:Nizamuddin Syed, Prasad T N Mahadeva, Sreenatha N R, Sharath C L, Lakshminarayana B N, Vishnumurthy K A
The title compound, C(15)H(19)N(5)OS, crystallizes in the monoclinic crystal system, space group P2(1)/c. The mol-ecule adopts a non-planar geometry. A significant feature of the structure is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, mol-ecules are linked through inter-molecular N-H⋯S hydrogen bonds, forming inversion-related dimers with an R (2) (2)(8) ring motif. A Hirshfeld surface analysis was undertaken to qu-antify the inter-molecular inter-actions that influence the crystal packing.

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